2GX4
Crystal structure of SARS coronavirus 3CL protease inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-03 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 109.029, 81.160, 53.289 |
| Unit cell angles | 90.00, 104.73, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.930 |
| Rwork | 0.205 |
| R-free | 0.24880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.450 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 32131 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | MES, PEG 6000, DTT, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |
